Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-
TL;DR: Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- (CAS 36652-79-6) is a chemical compound with molecular formula C9H7ClF3N3O4 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-, 5-(4-Hydroxy-3-methoxyphenyl)-5-phenylhydantoin, N-(2-Chloroethyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline
| Molecular Formula | C9H7ClF3N3O4 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 3.1725 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.00772 |
| Heavy Atoms | 20 |
| Complexity | 514.7247 |
Chemical Identifiers
| CAS Number | 36652-79-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NCCCl)[N+](=O)[O-])C(F)(F)F |
Product Overview
Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- (CAS 36652-79-6), with molecular formula C9H7ClF3N3O4 and molecular weight 313.01 g/mol. IUPAC: N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-
Property Insights of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-
The XLogP value of 3.1725 indicates that Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-?
The CAS number of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- is 36652-79-6.
What is the molecular formula of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-?
The molecular formula of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- is C9H7ClF3N3O4.
What is the molecular weight of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-?
The molecular weight of Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- is 313.01 g/mol.
Where can I buy Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-?
You can request a quote for Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(2-chloroethyl)-2,6-dinitro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.